N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3,4,5,6-pentamethyl-benzenesulfonamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3,4,5,6-pentamethyl-benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3,4,5,6-pentamethyl-benzenesulfonamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide Traditional Name: 2,3,4,5,6-pentamethyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C21H28N3O4S2+ MolecularWeight: 450.59472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C)C

InChI

InChI=1S/C21H27N3O4S2/c1-13-14(2)16(4)21(17(5)15(13)3)30(27,28)23-18-8-6-9-19(12-18)29(25,26)24-20-10-7-11-22-20/h6,8-9,12,23H,7,10-11H2,1-5H3,(H,22,24)/p+1